N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-imidazol-1-ylpropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)NC1=S

InChI

InChI=1S/C20H25N5O2S/c1-2-3-4-11-25-19(27)16-7-6-15(13-17(16)23-20(25)28)18(26)22-8-5-10-24-12-9-21-14-24/h6-7,9,12-14H,2-5,8,10-11H2,1H3,(H,22,26)(H,23,28)